1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Openeye Name: 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one CAS Name: 1-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one IUPAC Name: 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Traditional Name: 1-[(E)-3-(3-chlorophenyl)acryloyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CCOC2=CC=CC=C2)C(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN(C1=O)CCOC2=CC=CC=C2)C(=O)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H23ClN2O3/c23-19-6-4-5-18(17-19)9-10-21(26)24-12-11-22(27)25(14-13-24)15-16-28-20-7-2-1-3-8-20/h1-10,17H,11-16H2/b10-9+